5-ethoxycarbonyl-2-[2-[[[2-[[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]-methylsulfonyl-amino]methyl]-4-nitro-phenyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-2-[2-[[[2-[[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]-methylsulfonyl-amino]methyl]-4-nitro-phenyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-2-[2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-2-methyl-propyl]-methylsulfonyl-amino]methyl]-4-nitro-phenyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-2-[2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-2-methylpropyl]-methylsulfonylamino]methyl]-4-nitrophenyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-2-[2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-2-methylpropyl]-methylsulfonylamino]methyl]-4-nitrophenyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-2-[2-[[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-2-methyl-propyl]-mesyl-amino]methyl]-4-nitro-phenyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C32H42N4O11S MolecularWeight: 690.76108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1)C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])CN(CC(C)(C)NCC(COC3=CC=CC=C3OC)O)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1)C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])CN(CC(C)(C)NCC(COC3=CC=CC=C3OC)O)S(=O)(=O)C)C

InChI

InChI=1S/C32H42N4O11S/c1-7-46-31(40)25-15-26(30(38)39)29(34-20(25)2)24-13-12-22(36(41)42)14-21(24)17-35(48(6,43)44)19-32(3,4)33-16-23(37)18-47-28-11-9-8-10-27(28)45-5/h8-14,23,33-34,37H,7,15-19H2,1-6H3,(H,38,39)